N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide

C22H27N3O2 — CID 3659907

IUPACN'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-5-17-8-6-7-9-19(17)24-20(26)14-21(27)25-23-15-16-10-12-18(13-11-16)22(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyVAJDSSFNADAQLY-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.03
Rot. Bonds6

About N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide

N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide (PubChem CID 3659907) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
PubChem CID3659907
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-5-17-8-6-7-9-19(17)24-20(26)14-21(27)25-23-15-16-10-12-18(13-11-16)22(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyVAJDSSFNADAQLY-UHFFFAOYSA-N
XLogP4.03
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-tert-butylphenyl)methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5014358
N-(2-ethylphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135614342
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N'-[(4-tert-butylphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 5024996
N-(2-ethylphenyl)-N'-[(3-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 3960762
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5217446
N-(2-ethylphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3643210
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 3634457
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The IUPAC name of N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide (CID 3659907) is N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The canonical SMILES for N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
The InChIKey is VAJDSSFNADAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-5-17-8-6-7-9-19(17)24-20(26)14-21(27)25-23-15-16-10-12-18(13-11-16)22(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide?
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide has a molecular weight of 365.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 3659907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).